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23239-13-6 | 3(2H)-Pyridazinone, 4,5-dihydro-5-(hydroxymethyl)-6-phenyl-
CAS No: 23239-13-6 Catalog No: AG002MMY MDL No:MFCD01692709
Product Description
Catalog Number:
AG002MMY
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-5-(hydroxymethyl)-6-phenyl-
CAS Number:
23239-13-6
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD01692709
IUPAC Name:
4-(hydroxymethyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C11H12N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,15)
InChI Key:
UAYIYEKRCXWKAR-UHFFFAOYSA-N
SMILES:
OCC1CC(=O)NN=C1c1ccccc1
NSC Number:
125006
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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